N-[2-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-3,5-dinitro-benzamide

Systemtic Name: N-[2-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-3,5-dinitro-benzamide Openeye Name: N-[2-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-3,5-dinitro-benzamide CAS Name: N-[2-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-3,5-dinitrobenzamide IUPAC Name: N-[2-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-3,5-dinitrobenzamide Traditional Name: N-[2-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-3,5-dinitro-benzamide Formula: C21H14N4O6 MolecularWeight: 418.35906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=N2)C3=CC=CC=C3NC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=N2)C3=CC=CC=C3NC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H14N4O6/c1-12-6-7-19-18(8-12)23-21(31-19)16-4-2-3-5-17(16)22-20(26)13-9-14(24(27)28)11-15(10-13)25(29)30/h2-11H,1H3,(H,22,26)